1-thia-8-azaspiro[3.5]nonane

C7H13NS — CID 118210402

IUPAC1-thia-8-azaspiro[3.5]nonane
SMILESC1CNCC2(C1)CCS2
InChIInChI=1S/C7H13NS/c1-2-7(3-5-9-7)6-8-4-1/h8H,1-6H2
InChIKeyJUMVWXYKHILSIM-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.25
Rot. Bonds

About 1-thia-8-azaspiro[3.5]nonane

1-thia-8-azaspiro[3.5]nonane (PubChem CID 118210402) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-thia-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name1-thia-8-azaspiro[3.5]nonane
PubChem CID118210402
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-thia-8-azaspiro[3.5]nonane
SMILESC1CNCC2(C1)CCS2
InChIInChI=1S/C7H13NS/c1-2-7(3-5-9-7)6-8-4-1/h8H,1-6H2
InChIKeyJUMVWXYKHILSIM-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thia-8-azaspiro[3.5]nonane?
The IUPAC name of 1-thia-8-azaspiro[3.5]nonane (CID 118210402) is 1-thia-8-azaspiro[3.5]nonane.
What is the SMILES notation for 1-thia-8-azaspiro[3.5]nonane?
The canonical SMILES for 1-thia-8-azaspiro[3.5]nonane is C1CNCC2(C1)CCS2.
What is the InChIKey of 1-thia-8-azaspiro[3.5]nonane?
The InChIKey is JUMVWXYKHILSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-7(3-5-9-7)6-8-4-1/h8H,1-6H2.
What are the key properties of 1-thia-8-azaspiro[3.5]nonane?
1-thia-8-azaspiro[3.5]nonane has a molecular weight of 143.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-8-azaspiro[3.5]nonane is sourced from PubChem (CID 118210402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).